In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 31 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.44 | 9.76 | -63.55 | 0 | 6 | -1 | 83 | 418.469 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.44 | 8.94 | -14.7 | 1 | 6 | 0 | 80 | 419.477 | 7 | ↓ |